SCHEMBL29249773

SCHEMBL29249773

C=CC(=O)N(C)c1cc(C)ccc1C#Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.38
VCP P55072 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PTGES O14684 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK3 P27361 1/20 0.33
UTS2R Q9UKP6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29249809 0.85 NPC1 (0.43) FFAR1NPSR1PTPN1NPC1RAB9A
SCHEMBL29249786 0.84 CA12 (0.43) FFAR1VCPNPC1RAB9AACACB
SCHEMBL29249829 0.83 PTPN1 (0.48) FFAR1PTPN1ACACBPTGESPTGDR2
SCHEMBL29249785 0.76 PTGDR2 (0.42) PTGESPTGDR2MAPK3
SCHEMBL29249778 0.75 APP (0.37) FFAR1NPC1RAB9AFFAR4
SCHEMBL29249801 0.75 LMNA (0.43) FFAR1NPSR1NPC1RAB9AACACB
SCHEMBL27383386 0.74 POLB (0.44) KDM4E
SCHEMBL29249830 0.73 BCL2A1 (0.46) FFAR1NPC1RAB9AACACBPTGES
SCHEMBL29249803 0.73 ACACB (0.38) FFAR1NPSR1NPC1RAB9AACACB
SCHEMBL28359383 0.73 FFAR1 (0.42) FFAR1VCPNPC1RAB9APTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN disclosed